CID 2733665

Ethyl n-boc-oxamidate

Structural Information

Molecular Formula
C9H15NO5
SMILES
CCOC(=O)C(=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H15NO5/c1-5-14-7(12)6(11)10-8(13)15-9(2,3)4/h5H2,1-4H3,(H,10,11,13)
InChIKey
DSDQWJVXMDHQLK-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

217.09502 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10230 146.9
[M+Na]+ 240.08424 152.9
[M-H]- 216.08774 147.4
[M+NH4]+ 235.12884 165.4
[M+K]+ 256.05818 154.5
[M+H-H2O]+ 200.09228 142.0
[M+HCOO]- 262.09322 168.2
[M+CH3COO]- 276.10887 187.3
[M+Na-2H]- 238.06969 150.1
[M]+ 217.09447 150.8
[M]- 217.09557 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe